smiles
stringlengths 7
778
|
|---|
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1
|
CCOC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)sc2c1CCC(C)C2
|
CCOC(=O)NC(Cc1ccc(c2cccc(NC(=O)N(C)c3ccccn3)c2)cc1)C(=O)[O-]
|
N#Cc1cc([N+](=O)[O-])cnc1NCc1cccc(F)c1
|
CC(NC(=O)OC(C)(C)C)C(=O)NC1CC=C(C[NH3+])OC1OC1C(NC(=O)OC(C)(C)C)CC(NC(=O)C(O)CCNC(=O)OC(C)(C)C)C(OC2OCC(C)(O)C(N(C)C(=O)OC(C)(C)C)C2O)C1O
|
CCOC(=O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(SC(C)=O)C(C)C
|
CC(C)CCCC(C)NC(=S)Nc1ccc(Cl)cc1Cl
|
O=C(c1cc(Br)cc(Br)c1)c1c[nH]c2cc(F)ccc12
|
CCC(C)(CNC(=O)c1cccc(OC(F)F)c1)C(=O)[O-]
|
C[NH2+]CC1(C[NH+]2CC3CCCCN3CC2C)CCCOC1
|
CN(C)C(=O)C(=O)N(C)C12CCC(CC1)n1c2nc(C(=O)NCc2ccc(F)cc2)c([O-])c1=O
|
Cc1nn(C)c(NCC2CCC[NH2+]2)c1[N+](=O)[O-]
|
COc1cc(C(=O)N2CCCC([NH3+])C2)cc(OC)c1OCc1ccccc1
|
COc1ccccc1NC(=O)CCC(=O)Cl
|
Nc1nc(=O)c2ncn(C3OC(COP(=O)([O-])OP(=O)([O-])OCCC(=O)NC(Cc4ccccc4)c4ccccc4)C(O)C3O)c2[nH]1
|
CCCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc4c(c3)OCO4)C2c2ccc(OC)c(O)c2)cc1
|
Cc1sc(NC(=O)CCc2ccc(c3ccccc3)cc2)c(C(=O)[O-])c1C
|
Cc1cc(Nc2nccc(C)n2)cc(c2cnn(C3CCCC(O)C3O)c2)c1
|
O=C(Nc1ccccc1C(F)(F)F)c1cncc(Nc2cccc(F)c2)c1
|
CCCCOc1cccc(c2nnc(C(C)(C)[NH3+])o2)c1
|
CCCC1[NH2+]C(C(C)CC)C(=O)N1C(C)C[NH+](C)C
|
CCCN(CC#N)S(=O)(=O)[N-]C(=O)OCC
|
Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCC3)ccc2Cl)CC1)C(C)C
|
CCC=CC(C(=O)NCCCC)C(O)c1ccccc1
|
O=C(NC1CC[NH2+]C(C(=O)c2cccc(Cl)c2)C1)c1ccc(Cl)cc1
|
CCc1nc(CC(=O)NC2CC[NH+](C3CCCCC3O)CC2)cs1
|
CN(C)c1ccc(CNC(=O)COC(=O)c2ccc(COc3ccccc3)o2)cc1
|
O=C(NCC1CCS(=O)(=O)C1)c1ccc(F)c(F)c1
|
CSCCC(C(=O)N(C)C1CCCCC1)N1C(=O)c2ccccc2C1=O
|
CCOc1ccc(C(=O)N2CCCCC2)cc1COc1ccccc1C
|
COC(=O)c1sc(NC(=O)C=Cc2cc(C)ccc2OC)nc1C
|
CNc1ncc(Cl)c(c2ccc3c(c2)C(=O)N(C(C)C(=O)NC(CO)c2cccc(OC)c2)C3)n1
|
CCC(C)C1NC(=O)CCN(c2cccnc2)C1=O
|
Cc1ocnc1C(=O)NC1C=CC(CO)C1
|
CC(C)(C)NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1
|
Cc1nnc(S(=O)(=O)C(C)CCCl)nc1C
|
C=C1CC(C(=O)Nc2ccc(F)cn2)N(C(=O)C(CCCC)CN(O)C=O)C1
|
CCCCCCCCNC(=O)N(CCC(=O)[O-])C(C)C
|
CC1CC([NH3+])CC(c2ccncc2Nc2[nH+]cc3ccc(c4c(F)cc(C5(O)CCCC5)cc4F)nn23)C1
|
COc1ccc2sc(N3CC[NH+](CCNC(=O)c4cccc(Oc5ccccc5)c4)CC3)nc2c1OC
|
COc1ncc(CNC(=O)N2CCN(c3nncn3C)CC2)cc1Cl
|
CC(=O)n1c(O)c(C(=O)c2ccc3ncncc3c2)c2ccc(Cl)cc21
|
Cc1ccc(C)c(c2ccc(OC(=O)c3cccc(F)c3)nn2)c1
|
NC(=O)C1CCCN1S(=O)(=O)c1cccc(C(N)=S)c1
|
CCCCOc1ccc(c2cnc(c3cc[n+](CCCS(=O)(=O)O)cc3)o2)cc1
|
Cc1ccccc1CC(C)NC(=O)CN(CC[NH3+])CCc1ccccc1
|
Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc(C3CC3)cs2)cc1
|
COC1CC1C(=O)NC1(c2noc(C(C)C)n2)CCCC1
|
CCN(C(=O)Oc1ccccc1F)C1(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[NH2+]CC1c1ccc(Cl)cc1
|
CC(C(=O)[O-])N(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C1CC1
|
Cc1cccc(N2CC[NH+](Cc3occc3C[NH3+])CC2)c1
|
CCc1nn(CC)c(CC2(C[NH2+]CCOC)CC2)c1Br
|
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)c1cccnc1
|
N#CC(C(=O)Nc1cccc2ccccc12)=C(O)c1cccc2ccccc12
|
CCCC(C)C(=O)NC1CC([NH+](CC(=O)[O-])CC2CC2)C1
|
C[Si](C)(C)OC1=CC2CCC1CC2C#N
|
O=C1CC2(CCCC2)Nc2ccc(C(=O)[O-])cc2N1
|
CC(C)NC(=O)CC[NH2+]Cc1cc(Cl)ccc1Br
|
CCOC(=O)C(CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1
|
Cc1cc(C)n(c2ccc(C(N)=[NH+]OCC(=O)NN=C3CC4CCC3(C)C4(C)C)cn2)n1
|
CC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC4CCC3O4)cc2)CC1
|
Cn1ccnc1C[NH+]1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1
|
CNC(=O)c1cc(Br)cc(OC2CC2)c1
|
CCCCCc1ccc(NC(=O)C(=O)N2CCC(O)C2)cc1
|
CC(=NC(C)c1ccccc1)c1c2ccc(c1O)CCc1ccc(cc1)CCC2
|
C=C(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-]
|
Cc1c(C(=O)OC(C(=O)N2CCCCC2)c2ccccc2)sc2nc3n(c(=O)c12)CCC3
|
CC(C)(C)OC(=O)NC(CCCC[NH+](Cc1ccccc1)CC(O)CCl)C(=O)OC(C)(C)C
|
Cc1ccc(C(=O)[O-])c(=O)n1c1ccccc1C(C)C
|
CCOCCCNC(=O)Nc1cnccn1
|
Cc1csc(C(C#N)C=NCCc2ccc(F)cc2)n1
|
CCc1ncc(C[NH+]2CCN3C(=O)NC(=O)C3C2)s1
|
COCn1cc(c2c3ccccc3cn[n+]2[O-])c2ccccc21
|
N#CNc1cc(Cl)ccc1Br
|
CC(C)(C)c1ccc(N2C3CCC2CC(O)C3)cc1
|
O=C(c1ccc(c2ccc(F)cc2)cc1)N1CCC(C(=O)NC(c2ccc(F)cc2)C(F)(F)F)(c2ccc(F)cc2)CC1
|
CC1(CNC(=O)c2ccc(C#CC[NH3+])cc2F)CCCO1
|
CC(NC(=O)CCCCl)c1nnc(SCc2ccccc2)n1c1cc(Cl)ccc1Cl
|
CCCCO[Sn](=O)C(F)(F)C(F)(F)C(C)F
|
O=C(CC1(C(=O)[O-])CCCC1)Nc1c(Cl)ncnc1Cl
|
CCOC(=O)c1cn(c2ccc(OC)cc2[N+](=O)[O-])nn1
|
CCCCc1ccc(NC(=S)N(CCCn2ccnc2)Cc2ccc(N(C)C)cc2)cc1
|
CCC1C(=O)NC(C)C(=O)N1C1CCS(=O)CC1
|
C[NH+]1CCCN(C(=O)c2cnn(c3nccc(c4ccco4)n3)c2C2CC2)CC1
|
CC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)N1CCOCC1
|
N#CCc1cnc(c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1
|
CCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(O)c1
|
Cc1ccc(CNc2ncccn2)c(OC(C)(C)C)c1
|
CCn1cncc1CNc1cnn(CC(=O)NC2CC2)c1
|
Cn1ccc(C[NH+]2CCCCC2)n1
|
Cc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3)(c3ccccc3)C2c2ccco2)cc1
|
COc1ccc(C(=O)N2CCOC(CBr)C2)cc1OC
|
C[NH+](CC(=O)NCC1CC1)C(c1ccccc1)c1ccc(F)cc1
|
CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2C(=O)[O-])cc1
|
Nc1ccc(CCCc2cccc(Oc3ccccc3)c2)cc1
|
CC[NH2+]Cc1cc(S(=O)(=O)N2CC(C)OC(C)C2)cs1
|
CCC1CCC(Oc2ccc3ccc(C(CC)[NH+]4CCCC(CC(=O)[O-])C4)cc3c2C(F)(F)F)CC1
|
COc1ccc(C(=O)[O-])c(Oc2nc3ccccc3o2)c1
|
CCCCOCCSc1nnc(C[NH3+])n1C(C)C
|
Cc1cc(C(C)Nc2nc(N)nc3[nH]ncc23)c(C)o1
|
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